SCHEMBL20098341

SCHEMBL20098341

O=C1Nc2ccccc2C(c2ccccc2)=NC1Nc1nnc(-c2cnc(N3CCOCC3)cc2Cl)o1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CBLB Q13191 12/20 0.45
CCKBR P32239 7/20 0.42
CCKAR P32238 4/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20098428 0.88 CBLB (0.46) CBLBCCKBRCCKAR
SCHEMBL21755184 0.88 CBLB (0.46) CBLBCCKBRCCKAR
SCHEMBL20098079 0.88 CBLB (0.47) CBLBCCKBRCCKAR
SCHEMBL21755133 0.88 CBLB (0.47) CBLBCCKBRCCKAR
SCHEMBL24611915 0.87 CBLB (0.47) CBLBCCKBRCCKAR
SCHEMBL20098419 0.87 CBLB (0.47) CBLBCCKBRCCKAR
SCHEMBL21755290 0.86 CBLB (0.45) CBLBCCKBRCCKAR
SCHEMBL20098241 0.86 CBLB (0.45) CBLBCCKBRCCKAR
SCHEMBL20098168 0.85 CBLB (0.51) CBLBCCKBRCCKAR
SCHEMBL20098478 0.85 CBLB (0.51) CBLBCCKBRCCKAR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957281-B2 Benzodiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2018-05-01 US disclosed